(Z)-N-(benzotriazol-1-yl)-1-(4-methoxyphenyl)methanimine

C14H12N4O — CID 5390937

IUPAC(Z)-N-(benzotriazol-1-yl)-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C=N\n2nnc3ccccc32)cc1
InChIInChI=1S/C14H12N4O/c1-19-12-8-6-11(7-9-12)10-15-18-14-5-3-2-4-13(14)16-17-18/h2-10H,1H3/b15-10-
InChIKeyXNZVPGGSVXSUSN-GDNBJRDFSA-N
MW252.28 g/mol
LogP2.32
Rot. Bonds3

About (Z)-N-(benzotriazol-1-yl)-1-(4-methoxyphenyl)methanimine

(Z)-N-(benzotriazol-1-yl)-1-(4-methoxyphenyl)methanimine (PubChem CID 5390937) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is (Z)-N-(benzotriazol-1-yl)-1-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound Name(Z)-N-(benzotriazol-1-yl)-1-(4-methoxyphenyl)methanimine
PubChem CID5390937
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name(Z)-N-(benzotriazol-1-yl)-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C=N\n2nnc3ccccc32)cc1
InChIInChI=1S/C14H12N4O/c1-19-12-8-6-11(7-9-12)10-15-18-14-5-3-2-4-13(14)16-17-18/h2-10H,1H3/b15-10-
InChIKeyXNZVPGGSVXSUSN-GDNBJRDFSA-N
XLogP2.32
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-methylphenyl acetate
CID 702159
2-(2-ethoxy-5-methylphenyl)-2H-benzotriazole
CID 717829
2-(2-Methoxy-5-methylphenyl)benzotriazole
CID 576258
2-[2-(2,4-dimethylphenoxy)ethyl]-2H-1,2,3-benzotriazole
CID 803812
(E)-2-(benzotriazol-1-yl)-3-(4-methoxyphenyl)prop-2-enenitrile
CID 6475811
2-(4-Methoxyphenyl)benzotriazole
CID 658624
1-[(4-Methoxyphenyl)methyl]benzotriazole
CID 3786348
Benzotriazole, 1-(p-methoxyphenylethynyl)
CID 400577
1-[(2-Methoxy-5-methylphenyl)methyl]benzotriazole
CID 5149956
(E)-2-(benzotriazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
CID 6531022
2-(4-Methoxyphenyl)-5-(trifluoromethyl)benzotriazole
CID 127035090
5,6-Dichloro-2-[(4-methoxyphenyl)methyl]benzotriazole
CID 127035179

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(benzotriazol-1-yl)-1-(4-methoxyphenyl)methanimine?
The IUPAC name of (Z)-N-(benzotriazol-1-yl)-1-(4-methoxyphenyl)methanimine (CID 5390937) is (Z)-N-(benzotriazol-1-yl)-1-(4-methoxyphenyl)methanimine.
What is the SMILES notation for (Z)-N-(benzotriazol-1-yl)-1-(4-methoxyphenyl)methanimine?
The canonical SMILES for (Z)-N-(benzotriazol-1-yl)-1-(4-methoxyphenyl)methanimine is COc1ccc(/C=N\n2nnc3ccccc32)cc1.
What is the InChIKey of (Z)-N-(benzotriazol-1-yl)-1-(4-methoxyphenyl)methanimine?
The InChIKey is XNZVPGGSVXSUSN-GDNBJRDFSA-N. The full InChI is InChI=1S/C14H12N4O/c1-19-12-8-6-11(7-9-12)10-15-18-14-5-3-2-4-13(14)16-17-18/h2-10H,1H3/b15-10-.
What are the key properties of (Z)-N-(benzotriazol-1-yl)-1-(4-methoxyphenyl)methanimine?
(Z)-N-(benzotriazol-1-yl)-1-(4-methoxyphenyl)methanimine has a molecular weight of 252.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(benzotriazol-1-yl)-1-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 5390937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).